2-amino-6-(2-methylprop-2-enylamino)hexanal

C10H20N2O — CID 143925106

IUPAC2-amino-6-(2-methylprop-2-enylamino)hexanal
SMILESC=C(C)CNCCCCC(N)C=O
InChIInChI=1S/C10H20N2O/c1-9(2)7-12-6-4-3-5-10(11)8-13/h8,10,12H,1,3-7,11H2,2H3
InChIKeyVVTLUIHONSDWOU-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.85
Rot. Bonds8

About 2-amino-6-(2-methylprop-2-enylamino)hexanal

2-amino-6-(2-methylprop-2-enylamino)hexanal (PubChem CID 143925106) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-amino-6-(2-methylprop-2-enylamino)hexanal.

Molecular Properties

Compound Name2-amino-6-(2-methylprop-2-enylamino)hexanal
PubChem CID143925106
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-amino-6-(2-methylprop-2-enylamino)hexanal
SMILESC=C(C)CNCCCCC(N)C=O
InChIInChI=1S/C10H20N2O/c1-9(2)7-12-6-4-3-5-10(11)8-13/h8,10,12H,1,3-7,11H2,2H3
InChIKeyVVTLUIHONSDWOU-UHFFFAOYSA-N
XLogP0.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[(5S)-5-amino-6-oxohexyl]amino]ethyl 2-methylprop-2-enoate
CID 138751380
7-methyl-N-(2-methylprop-2-enyl)nonan-1-amine
CID 175620901
N-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide
CID 138751316
N-(2-methylprop-2-enyl)hept-6-en-1-amine
CID 107007189
4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide
CID 138742930
2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide
CID 143981855
2-aminooctanal
CID 54076326
3-amino-7-(2-oxopropylamino)heptan-2-one
CID 123521063
2-[(5S)-5-amino-6-oxohexyl]guanidine
CID 22853450
methyl 5-amino-6-oxohexanoate
CID 78438770
2-(2-methylprop-2-enylamino)ethanol
CID 19100967
N-[(5S)-5-amino-6-oxohexyl]-2-(2-propoxyethoxy)acetamide
CID 177325899

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-methylprop-2-enylamino)hexanal?
The IUPAC name of 2-amino-6-(2-methylprop-2-enylamino)hexanal (CID 143925106) is 2-amino-6-(2-methylprop-2-enylamino)hexanal.
What is the SMILES notation for 2-amino-6-(2-methylprop-2-enylamino)hexanal?
The canonical SMILES for 2-amino-6-(2-methylprop-2-enylamino)hexanal is C=C(C)CNCCCCC(N)C=O.
What is the InChIKey of 2-amino-6-(2-methylprop-2-enylamino)hexanal?
The InChIKey is VVTLUIHONSDWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(2)7-12-6-4-3-5-10(11)8-13/h8,10,12H,1,3-7,11H2,2H3.
What are the key properties of 2-amino-6-(2-methylprop-2-enylamino)hexanal?
2-amino-6-(2-methylprop-2-enylamino)hexanal has a molecular weight of 184.28 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-methylprop-2-enylamino)hexanal is sourced from PubChem (CID 143925106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).